N-[1-(4-bromophenyl)ethyl]acetamide

C10H12BrNO — CID 2854373

IUPACN-[1-(4-bromophenyl)ethyl]acetamide
SMILESCC(=O)NC(C)c1ccc(Br)cc1
InChIInChI=1S/C10H12BrNO/c1-7(12-8(2)13)9-3-5-10(11)6-4-9/h3-7H,1-2H3,(H,12,13)
InChIKeyDRRCKKJEBGEBGR-UHFFFAOYSA-N
MW242.12 g/mol
LogP2.65
Rot. Bonds2

About N-[1-(4-bromophenyl)ethyl]acetamide

N-[1-(4-bromophenyl)ethyl]acetamide (PubChem CID 2854373) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]acetamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]acetamide
PubChem CID2854373
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC NameN-[1-(4-bromophenyl)ethyl]acetamide
SMILESCC(=O)NC(C)c1ccc(Br)cc1
InChIInChI=1S/C10H12BrNO/c1-7(12-8(2)13)9-3-5-10(11)6-4-9/h3-7H,1-2H3,(H,12,13)
InChIKeyDRRCKKJEBGEBGR-UHFFFAOYSA-N
XLogP2.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]acetamide?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]acetamide (CID 2854373) is N-[1-(4-bromophenyl)ethyl]acetamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]acetamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]acetamide is CC(=O)NC(C)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]acetamide?
The InChIKey is DRRCKKJEBGEBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO/c1-7(12-8(2)13)9-3-5-10(11)6-4-9/h3-7H,1-2H3,(H,12,13).
What are the key properties of N-[1-(4-bromophenyl)ethyl]acetamide?
N-[1-(4-bromophenyl)ethyl]acetamide has a molecular weight of 242.12 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]acetamide is sourced from PubChem (CID 2854373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).